mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-807588
7.864211
5.215431
-2.114172
other
Li3Mn2P4H1O14
24
2
294.04
mp-1046414
14.473047
7.311693
-5.470464
other
Sr2Mg2Cr2P4O16
26
2
324.49
mp-1190385
10.410784
5.109711
-6.43892
other
Tb2Co1Te2S2O14
21
2
283.45
mp-752783
11.385825
4.005159
-3.740598
other
Ca2Cu1B2H12O12
29
2
254.88
mp-1224748
8.026702
3.857423
-4.701344
other
K4H28Rh4N24O34
94
2
1,147.67
mp-1194648
8.360969
2.31553
-4.731658
other
Si2H24C12N8O16
62
2
779.88
mp-1638898
14.66624
7.56752
-5.524377
other
Li4Fe2P2H2O10
20
2
199.14
mp-778069
12.105972
5.130934
-5.280374
other
Li2Mn2P4H10O18
36
2
398.38
mp-1520009
9.381814
9.146008
2.13403
other
Sr2Ca2La2Sb2O12
20
2
298.94
mp-757231
14.066401
7.264709
-6.772462
other
Li2Mn4P4H2O16
28
2
375.89
mp-1201220
8.302248
1.926552
-4.613086
other
Cu2H18C10N2O10
42
2
488.08
mp-1412531
7.214704
4.665191
-1.589067
other
V1Cr1P2H2O10
16
2
174.74
mp-2233145
11.082782
11.10248
-1.998875
other
Cs4Na2Mg1V2O8
17
2
354.64
mp-1195182
8.20021
0.731013
-4.381514
other
P2H38Pt1C12N6
59
2
583.26
mp-1227854
8.636373
3.62099
-7.121241
other
Ca3Mg2Fe1C6O18
30
2
334.94
mp-780204
12.058292
6.290843
-6.375831
other
Li2Mn2P8H8O28
48
2
550.82
mp-780583
15.546555
5.930179
-2.168017
other
Li4Mn2Fe2B4O12
24
2
251.64
mp-1522224
5.902821
8.407828
-0.017803
other
Ba2Sr2La2Bi2O12
20
2
340.01
mp-1198875
8.486732
2.069565
-4.553974
other
P4H64C18N36O24
146
2
1,356.98
mp-695396
10.374671
11.613
3.320721
other
Na6Sr2Ti2Nb6O24
40
2
502.33
mp-753239
13.838864
6.990123
-5.694291
other
Li2Sn2P2H2O10
18
2
219.62
mp-1337141
13.505484
7.368554
-5.481876
other
Li3Mn2P4H1O14
24
2
294.04
mp-1365378
7.525208
5.003971
-1.594265
other
Ca8V4Fe16Bi4O48
80
2
1,009.75
mp-1226541
11.364367
11.037731
-3.948816
other
Cs2Zr1Fe2Mo6O24
35
2
652.28
mp-1523104
5.948483
8.543238
-0.113213
other
Sr2Ca2Sm2Bi2O12
20
2
306.29
mp-557864
5.829912
3.372658
-4.645603
other
Fe4W2C20Se4O20
50
2
961.33
mp-755068
9.617158
3.627389
-8.761277
other
Li6Mn2P2C2O14
26
2
300.66
mp-755185
14.211965
7.521784
-5.405778
other
Li2Sb2P2H2O10
18
2
219.44
mp-743878
10.268481
9.630419
-2.13264
other
Fe2Te4H3Cl1O12
22
2
293.98
mp-698227
10.899932
3.490951
-4.476509
other
Cr2P4H26N4O20
56
2
536.46
mp-1227460
7.32266
3.771528
-3.614538
other
Ca1C2S2O2F2
9
2
215.05
mp-1190438
9.555592
5.362516
-6.43171
other
Eu2Co1Te2S2O14
21
2
305.68
mp-1101723
9.926241
4.436479
-4.131579
other
Na6Te2H28Ru1O30
67
2
701.15
mp-1195382
10.190637
3.128839
-3.96185
other
Li4Sn2H28Se6O14
54
2
651.47
mp-772273
10.404641
4.227612
-5.756136
other
Li4Mn2H8S4O20
38
2
396.24
mp-1190204
11.858305
4.730105
-4.975366
other
Mn2P2H8O10F2
24
2
249.12
mp-1190177
10.343796
5.175426
-6.309898
other
Dy2Co1Te2S2O14
21
2
296.05
mp-568873
7.879488
0.190068
-4.538696
other
Ga2Si4As2H48C16
72
2
811.59
mp-720807
5.693015
3.256877
-4.711798
other
H4Ru12C36S2O40
94
2
1,529.85
mp-2232096
10.470596
4.674222
-6.809807
other
Mg1Fe2S2O8F2
15
2
189.21
mp-756529
8.378623
5.723547
-7.435535
other
Li2Mn2P2C2O14
22
2
277.32
mp-1518103
11.120188
10.436818
1.238663
other
Ba2Sr2Pr2W2O12
20
2
318.37
mp-753560
14.465546
8.326722
-6.103537
other
Li4V4P4H4O20
36
2
368.67
mp-1234531
11.157048
11.380133
-2.08932
other
Eu2Mg1Ag2W4O16
25
2
373.44
mp-774905
9.024853
3.488411
-5.696138
other
Li6Cr2H24C12O36
80
2
833.53
mp-560164
10.977283
8.851052
-4.822954
other
Li3Al1Mo2As2O14
22
2
258.08
mp-1522543
10.164362
9.120131
2.290848
other
Ba2Ce2Eu2Sb2O12
20
2
314.54
mp-1192156
6.292532
4.875299
-4.656814
other
Cu1C4S4N2O12
23
2
553.67
mp-1224943
10.836224
4.50772
-5.854726
other
K8P4H12S4O32
60
2
814.55
mp-1195722
9.073961
1.434409
0.754427
other
Al2H4Pb6O2F18
32
2
434.03
mp-729593
6.93092
5.024935
-4.408644
other
H2Os12C36S4O38
92
2
1,554.51
mp-1199713
9.882369
3.459495
-4.060933
other
K8Np6H16Cl14O20
64
2
1,171.69
mp-849293
12.122895
4.954491
-5.14979
other
Li2Fe2P6H16O26
52
2
539.65
mp-1212424
8.044378
1.230596
-4.391432
other
Hg2H24C4I8N12
50
2
928.59
mp-768491
8.997692
4.740019
-8.460057
other
Li8Fe4P4C4O28
48
2
544.93
mp-1190475
10.238671
5.048411
-6.476917
other
Lu2Co1Te2S2O14
21
2
301.77
mp-1212305
12.595832
6.526804
-6.246636
other
Mn1Ag4P6H6O18
35
2
496.53
mp-555953
12.469594
5.906252
-1.97368
other
Na2Cu2Si4H4O13
25
2
283.21
mp-768720
9.401569
3.856462
-8.623602
other
Li10Fe4P4C4O28
50
2
552.48
mp-510246
11.380222
3.836164
-4.827801
other
Mn1P4H16N2O16
39
2
395.52
mp-818178
7.582386
5.062499
-1.839197
other
Li2Co2P2O8F2
16
2
170.58
mp-1255651
10.119613
2.453636
-2.708314
other
Cr2Si2H24O12F12
52
2
528.03
mp-707319
5.596494
3.215841
-4.631167
other
Bi2H6Ru6C18O18
50
2
874.02
mp-1224650
5.748183
3.460239
-4.539968
other
H2W4C18N2O20
46
2
835.25
mp-1343780
7.623646
5.194585
-1.813678
other
Sr2Ca2Mn2P4O16
26
2
349.47
mp-644409
13.008878
5.546999
-6.114122
other
Li2Al2P2H2O10
18
2
166.54
mp-1182633
10.232355
4.909727
-4.324115
other
Mg2V10H40N2O44
98
2
1,066.43
mp-686677
10.504437
4.986192
-5.386363
other
Rb4P2H6Se2O16
30
2
461.6
mp-1215140
10.200765
4.749696
-4.221358
other
Cr1Ga1Mo6H38O40
86
2
878.85
mp-722243
8.787794
3.570489
-5.939846
other
Na2Cu1H4C4O10
21
2
241.26
mp-1210903
12.429102
6.109517
-5.58629
other
Na8P8H12S8O16
52
2
908
mp-698305
8.785453
3.606226
-5.803182
other
K6V2H12C8O26
54
2
685.95
mp-775365
8.537821
1.048004
-4.475813
other
Al12H32C10Cl24O12
90
2
1,595.12
mp-1519816
9.501554
9.213106
1.001479
other
Ba2Eu2Bi2Sb2O12
20
2
319.51
mp-1180336
8.73845
5.830423
-3.860766
other
Na2Co1H4Se2O10
19
2
264.8
mp-1176348
9.571168
3.812479
-8.511142
other
Na10Fe4P4C4O28
50
2
625.5
mp-2232672
12.340466
7.624253
-3.472402
other
Na4Mg1Cu1As2O8
16
2
245.75
mp-976402
11.589468
5.09078
-4.568441
other
Na2Zn2As2H8O12
26
2
284.21
mp-1378966
13.849212
7.692119
-5.439416
other
Li3Fe2P4H1O14
24
2
286.19
mp-1194022
11.445685
9.668542
-0.905234
other
Cs1Na3U4Mo2O20
30
2
519.09
mp-1205020
7.435183
7.134668
-4.379272
other
Ca1Cu4As4H2O26
37
2
519.95
mp-1382589
9.635039
3.59148
-3.960528
other
K2Mn2H8Cl6O4
22
2
362.07
mp-801251
7.544997
5.060497
-1.850987
other
V1Cr1P2O8F2
14
2
173.81
mp-1204939
8.288768
3.303549
-4.810623
other
Ni1H14C2N12O12
41
2
427.13
mp-556305
11.520158
4.531765
-4.947686
other
Nd2P2H10C2O14
30
2
349.09
mp-756507
11.35177
7.282169
-7.114983
other
Li2Fe2P2H2O10
18
2
182.94
mp-1195529
9.576081
4.956547
-6.166121
other
Ba2H2Pd1S10O34
49
2
720.68
mp-780113
13.604083
6.896184
-6.513561
other
Li4Mn4P8H4O28
48
2
518.71
mp-1198723
12.081409
5.04664
-5.303364
other
Rb2Ni1P4H8O16
31
2
381.73
mp-1518816
7.532141
11.223101
1.109774
other
Ba2Sr2Eu2V2O12
20
2
289.98
mp-1179399
7.961967
7.688693
-4.02529
other
U2Cu5Pb2Se6O30
45
2
664.1
mp-1195967
9.33081
7.403656
-5.406023
other
Sr2U2P4H4O20
32
2
497.82
mp-1235461
9.132744
5.748316
-4.099093
other
K2Li1H2Se2O6
13
2
219.6
mp-1238661
9.364799
3.885459
-4.301858
other
H26C4Cl4O16F2
52
2
670.43
mp-1201593
8.167459
0.951317
-4.476304
other
Sb4H84C30Br18N18
154
2
2,044.61
mp-40668
12.912848
6.866228
-6.554039
other
Na4Co4P8H4O28
48
2
533.69
mp-1199353
7.562097
7.707682
-3.990401
other
Ca4Al2Cu2As6O38
52
2
694.42
mp-557596
13.850507
8.007272
-1.041836
other
Na4Ti2Fe10Si12O40
68
2
775.58
mp-1215742
7.569657
3.693763
-3.732635
other
Zn1C2S2O2F2
9
2
186.81
mp-1193084
12.32062
6.502185
0.231182
other
Ba2Y4Si4O14F4
28
2
387.12